SCHEMBL3684019

SCHEMBL3684019

NC(=O)c1ccccc1[C@@H]1C[C@H]1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA1A P35348 1/20 0.39
BCAT2 O15382 1/20 0.37
HSD11B1 P28845 1/20 0.36
TP53 P04637 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
NPC1 O15118 1/20 0.36
BRD4 O60885 1/20 0.35
HSPA1A P0DMV8 1/20 0.35
HSPA8 P11142 1/20 0.35
CD44 P16070 1/20 0.35
MSN P26038 1/20 0.35
PTPN7 P35236 1/20 0.35
GAA P10253 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2791036 1.00 METAP2 (0.42) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL3680794 1.00 METAP2 (0.42) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL3689576 1.00 METAP2 (0.42) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL3682415 1.00 METAP2 (0.42) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL29818375 0.87 PARP2 (0.43) HSD11B1
SCHEMBL3290607 0.87 METAP2 (0.42) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL3705935 0.81 SLC6A3 (0.43) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL30646221 0.80 KDM4E (0.47) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL1116597 0.77 KDM4E (0.44) METAP2KDM4EALDH1A1MAPTHPGD
SCHEMBL8628022 0.77 KDM4E (0.44) METAP2KDM4EALDH1A1MAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129223-B1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID SYNGENTA PARTICIPATIONS AG (CH) 2016-12-14 EP disclosed
US-20130178491-A1 FUNGICIDAL COMPOSITION SYNGENTA CROP PROTECTION, LLC (US) 2013-07-11 US disclosed
US-20100113552-A1 FUNGICIDAL COMPOSITION SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2129223-A2 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID Syngeta Participations AG (CH) 2009-12-09 EP disclosed
WO-2008119439-A2 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID SYNGENTA PARTICIPATIONS AG (CH) 2008-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113552-A1 FUNGICIDAL COMPOSITION CYCS, CYP1A2, CYP1A1 METAP2 1599/4885KDM4E 3176/4885ALDH1A1 945/4885
US-20130178491-A1 FUNGICIDAL COMPOSITION CYP1A2, CYCS, FFAR3 METAP2 1492/4885KDM4E 3261/4885ALDH1A1 991/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.